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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=190",
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"results": [
{
"id": "jvasp-52414",
"created_at": "2022-09-04T14:38:17.103490Z",
"updated_at": "2022-09-04T14:38:17.103506Z",
"structure_string": "Hf12 Zn12 N4\n1.0\n6.007192 6.007192 -0.000000\n-0.000000 6.007192 6.007192\n6.007192 -0.000000 6.007192\nHf Zn N\n12 12 4\ndirect\n0.565221 0.934778 0.934778 Hf\n0.315221 0.684778 0.315221 Hf\n0.315221 0.315221 0.684778 Hf\n0.315221 0.684778 0.684778 Hf\n0.684778 0.684778 0.315221 Hf\n0.684778 0.315221 0.315221 Hf\n0.684778 0.315221 0.684778 Hf\n0.934778 0.934778 0.565221 Hf\n0.934778 0.565221 0.565221 Hf\n0.565221 0.934778 0.565221 Hf\n0.565221 0.565221 0.934778 Hf\n0.934778 0.565221 0.934778 Hf\n0.917130 0.917130 0.917130 Zn\n0.125000 0.125000 0.125000 Zn\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.625000 0.125000 0.125000 Zn\n0.917130 0.248610 0.917130 Zn\n0.332870 0.332870 0.001390 Zn\n0.248610 0.917130 0.917130 Zn\n0.332870 0.332870 0.332870 Zn\n0.332870 0.001390 0.332870 Zn\n0.001390 0.332870 0.332870 Zn\n0.917130 0.917130 0.248610 Zn\n0.625000 0.125000 0.625000 N\n0.125000 0.625000 0.625000 N\n0.625000 0.625000 0.125000 N\n0.625000 0.625000 0.625000 N\n",
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],
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"volume": 433.55533483911444,
"volume_molar": 9.324754477321711,
"formula_full": "Hf12 Zn12 N4",
"formula_reduced": "Hf3Zn3N",
"formula_anonymous": "AB3C3",
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"spacegroup": 227
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{
"id": "jvasp-117174",
"created_at": "2022-09-04T14:38:48.665187Z",
"updated_at": "2022-09-04T14:38:48.665212Z",
"structure_string": "Y4 Ga18 Ir6\n1.0\n7.572701 0.004755 0.000000\n-3.774928 6.564735 0.000000\n-0.000000 0.000000 9.517489\nY Ga Ir\n4 18 6\ndirect\n0.997272 0.669326 0.250000 Y\n0.002728 0.330674 0.750000 Y\n0.669326 0.997272 0.250000 Y\n0.330674 0.002728 0.750000 Y\n0.453618 0.661104 0.750000 Ga\n0.546382 0.338896 0.250000 Ga\n0.661104 0.453618 0.750000 Ga\n0.338896 0.546382 0.250000 Ga\n0.332039 0.332039 0.932361 Ga\n0.667961 0.667961 0.067639 Ga\n0.667961 0.667961 0.432361 Ga\n0.332039 0.332039 0.567639 Ga\n0.334569 0.999059 0.080820 Ga\n0.665431 0.000941 0.580820 Ga\n0.999059 0.334570 0.419180 Ga\n0.334569 0.999059 0.419180 Ga\n0.000940 0.665430 0.580820 Ga\n0.000940 0.665430 0.919180 Ga\n0.999059 0.334570 0.080820 Ga\n0.870960 0.870960 0.750000 Ga\n0.129040 0.129040 0.250000 Ga\n0.665431 0.000941 0.919180 Ga\n0.000000 0.000000 0.000000 Ir\n0.671073 0.328927 -0.000000 Ir\n0.328926 0.671073 -0.000000 Ir\n0.328926 0.671073 0.500000 Ir\n0.671073 0.328927 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Y",
"density": 9.696844680961084,
"density_atomic": 0.05915764221422465,
"volume": 473.3116289287694,
"volume_molar": 10.17981875983549,
"formula_full": "Y4 Ga18 Ir6",
"formula_reduced": "Y2(Ga3Ir)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 1.3411596517857145,
"spacegroup": 63
},
{
"id": "jvasp-43069",
"created_at": "2022-09-04T14:38:07.260036Z",
"updated_at": "2022-09-04T14:38:07.260066Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n5.956116 0.000000 0.000000\n0.000000 5.956116 0.000000\n0.000000 -0.000000 8.189684\nLi Mn V O\n4 4 4 16\ndirect\n0.000000 0.244467 0.000000 Li\n0.000000 0.755534 0.500000 Li\n0.244467 0.000000 0.250000 Li\n0.755534 0.000000 0.750000 Li\n0.253908 0.253908 0.625000 Mn\n0.253908 0.746093 0.875000 Mn\n0.746093 0.253908 0.375000 Mn\n0.746093 0.746093 0.125000 Mn\n0.777070 0.500000 0.750000 V\n0.500000 0.777070 0.500000 V\n0.500000 0.222931 0.000000 V\n0.222931 0.500000 0.250000 V\n0.730306 0.969392 0.492465 O\n0.730306 0.030609 0.007534 O\n0.731601 0.486638 0.979448 O\n0.731601 0.513363 0.520552 O\n0.513363 0.731601 0.729448 O\n0.513363 0.268399 0.770551 O\n0.486638 0.731601 0.270552 O\n0.030609 0.730306 0.242465 O\n0.268399 0.513363 0.479448 O\n0.268399 0.486638 0.020552 O\n0.269695 0.969392 0.507534 O\n0.269695 0.030609 0.992465 O\n0.969392 0.269695 0.742465 O\n0.030609 0.269695 0.257534 O\n0.486638 0.268399 0.229448 O\n0.969392 0.730306 0.757534 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.042429730574302,
"density_atomic": 0.09637504454555883,
"volume": 290.5316426262581,
"volume_molar": 6.248651596890508,
"formula_full": "Li4 Mn4 V4 O16",
"formula_reduced": "LiMnVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.764985063054187,
"spacegroup": 95
},
{
"id": "jvasp-51066",
"created_at": "2022-09-04T14:38:17.059897Z",
"updated_at": "2022-09-04T14:38:17.059924Z",
"structure_string": "K4 Sr4 V4 O16\n1.0\n5.860188 0.000000 0.000000\n0.000000 7.473053 0.000000\n0.000000 0.000000 9.983800\nK Sr V O\n4 4 4 16\ndirect\n0.484529 0.093432 0.577923 K\n0.515471 0.593432 0.922077 K\n0.015471 0.906567 0.077923 K\n0.984530 0.406567 0.422077 K\n0.978395 0.248945 0.801871 Sr\n0.478395 0.251055 0.198130 Sr\n0.521606 0.751055 0.301870 Sr\n0.021605 0.748944 0.698130 Sr\n0.515073 0.024581 0.915793 V\n0.984927 0.975419 0.415793 V\n0.015073 0.475419 0.084207 V\n0.484927 0.524581 0.584207 V\n0.430795 0.749121 0.563235 O\n0.238874 0.016751 0.330871 O\n0.492779 0.427798 0.426005 O\n0.007222 0.572201 0.926005 O\n0.756234 0.058514 0.325787 O\n0.992779 0.072202 0.573995 O\n0.261126 0.983249 0.830872 O\n0.243766 0.558513 0.174213 O\n0.569205 0.249122 0.936765 O\n0.743766 0.941486 0.825787 O\n0.069205 0.250878 0.063235 O\n0.256234 0.441486 0.674213 O\n0.738875 0.483249 0.669129 O\n0.507222 0.927798 0.073995 O\n0.761126 0.516751 0.169129 O\n0.930796 0.750878 0.436765 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Sr",
"V",
"O"
],
"chemical_system": "K-O-Sr-V",
"density": 3.6711633055508965,
"density_atomic": 0.06404018056401406,
"volume": 437.22550051231383,
"volume_molar": 9.403691099809308,
"formula_full": "K4 Sr4 V4 O16",
"formula_reduced": "KSrVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.629713215714286,
"spacegroup": 19
},
{
"id": "jvasp-88595",
"created_at": "2022-09-04T14:35:47.963328Z",
"updated_at": "2022-09-04T14:35:47.963339Z",
"structure_string": "Dy12 S12 N4\n1.0\n3.815671 -0.000000 0.000000\n-0.000000 11.909686 0.000000\n0.000000 0.000000 12.855173\nDy S N\n12 12 4\ndirect\n0.250000 0.212629 0.859470 Dy\n0.250000 0.066448 0.631569 Dy\n0.250000 0.548005 0.357833 Dy\n0.250000 0.048005 0.142166 Dy\n0.250000 0.566448 0.868431 Dy\n0.750000 0.951995 0.857833 Dy\n0.750000 0.787372 0.140530 Dy\n0.750000 0.451995 0.642166 Dy\n0.750000 0.933552 0.368431 Dy\n0.750000 0.287371 0.359470 Dy\n0.750000 0.433552 0.131569 Dy\n0.250000 0.712629 0.640530 Dy\n0.250000 0.594042 0.098733 S\n0.750000 0.724653 0.808589 S\n0.250000 0.866311 0.009069 S\n0.250000 0.366310 0.490931 S\n0.250000 0.775348 0.308589 S\n0.750000 0.905959 0.598733 S\n0.750000 0.633690 0.509069 S\n0.750000 0.405959 0.901267 S\n0.750000 0.224653 0.691411 S\n0.250000 0.094041 0.401267 S\n0.750000 0.133690 0.990931 S\n0.250000 0.275348 0.191411 S\n0.250000 0.534435 0.701809 N\n0.250000 0.034435 0.798191 N\n0.750000 0.465565 0.298191 N\n0.750000 0.965565 0.201809 N\n",
"nsites": 28,
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"elements": [
"Dy",
"S",
"N"
],
"chemical_system": "Dy-N-S",
"density": 6.795859969579389,
"density_atomic": 0.04793015936769061,
"volume": 584.1833277707524,
"volume_molar": 12.564407962431028,
"formula_full": "Dy12 S12 N4",
"formula_reduced": "Dy3S3N",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.1464403928571425,
"spacegroup": 62
},
{
"id": "jvasp-62882",
"created_at": "2022-09-04T14:36:18.950222Z",
"updated_at": "2022-09-04T14:36:18.950248Z",
"structure_string": "Ni16 B12\n1.0\n3.001642 0.000000 0.000000\n0.000000 6.604612 0.000000\n0.000000 0.000000 11.987444\nNi B\n16 12\ndirect\n0.750000 0.003993 0.149708 Ni\n0.750000 0.673357 0.875828 Ni\n0.250000 0.173357 0.624171 Ni\n0.750000 0.826643 0.375829 Ni\n0.750000 0.884214 0.699757 Ni\n0.250000 0.384214 0.800243 Ni\n0.250000 0.115785 0.300243 Ni\n0.750000 0.615785 0.199757 Ni\n0.250000 0.326643 0.124171 Ni\n0.250000 0.751373 0.550023 Ni\n0.250000 0.748626 0.050024 Ni\n0.750000 0.248626 0.449976 Ni\n0.750000 0.496007 0.649707 Ni\n0.250000 0.996006 0.850292 Ni\n0.250000 0.503993 0.350292 Ni\n0.750000 0.251374 0.949976 Ni\n0.250000 0.812483 0.243149 B\n0.750000 0.312483 0.256851 B\n0.750000 0.978609 0.537585 B\n0.250000 0.478609 0.962414 B\n0.250000 0.021391 0.462414 B\n0.250000 0.440148 0.524228 B\n0.750000 0.940148 0.975771 B\n0.250000 0.059852 0.024228 B\n0.750000 0.559852 0.475771 B\n0.250000 0.687517 0.743149 B\n0.750000 0.521391 0.037586 B\n0.750000 0.187517 0.756851 B\n",
"nsites": 28,
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"elements": [
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"B"
],
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"density": 7.468329586220452,
"density_atomic": 0.11782168710684633,
"volume": 237.6472505830634,
"volume_molar": 5.111232836564999,
"formula_full": "Ni16 B12",
"formula_reduced": "Ni4B3",
"formula_anonymous": "A3B4",
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"spacegroup": 62
},
{
"id": "jvasp-112503",
"created_at": "2022-09-04T14:38:41.381347Z",
"updated_at": "2022-09-04T14:38:41.381368Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.959000 -0.004377 0.086217\n1.432840 6.194973 0.619449\n0.023258 0.013211 13.559733\nLi Mn O\n8 6 14\ndirect\n0.678818 0.660649 0.429619 Li\n0.565595 0.214764 0.140671 Li\n0.434407 0.785235 0.859329 Li\n0.067385 0.935396 0.296538 Li\n0.000000 0.500000 0.000000 Li\n0.932617 0.064602 0.703462 Li\n0.321184 0.339350 0.570382 Li\n0.000000 -0.000000 0.500000 Li\n0.800528 0.576128 0.220779 Mn\n0.199473 0.423871 0.779221 Mn\n0.733127 0.143412 0.926897 Mn\n0.382465 0.278572 0.365638 Mn\n0.617536 0.721427 0.634362 Mn\n0.266874 0.856587 0.073104 Mn\n0.575403 0.451243 0.889708 O\n0.657490 0.882717 0.178479 O\n0.094047 0.728960 0.735662 O\n0.108557 0.165956 0.037581 O\n0.209035 0.598970 0.322555 O\n0.790967 0.401029 0.677445 O\n0.342511 0.117282 0.821521 O\n0.522633 0.990385 0.390178 O\n0.891444 0.834043 0.962420 O\n0.905954 0.271039 0.264338 O\n0.153827 0.678713 0.547074 O\n0.477368 0.009613 0.609822 O\n0.424598 0.548756 0.110292 O\n0.846174 0.321286 0.452927 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.068637549693903,
"density_atomic": 0.11262510446865297,
"volume": 248.612422000401,
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"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
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"spacegroup": 2
},
{
"id": "jvasp-44393",
"created_at": "2022-09-04T14:38:30.793809Z",
"updated_at": "2022-09-04T14:38:30.793834Z",
"structure_string": "Li4 Ni6 Sb2 O16\n1.0\n2.910403 -5.040967 -0.000000\n2.910403 5.040967 -0.000000\n-0.000000 0.000000 9.513782\nLi Ni Sb O\n4 6 2 16\ndirect\n0.666667 0.333332 0.096211 Li\n0.000000 0.000000 0.010021 Li\n0.000000 0.000000 0.510021 Li\n0.333332 0.666667 0.596211 Li\n0.163628 0.338426 0.285504 Ni\n0.174798 0.836372 0.285504 Ni\n0.661573 0.825201 0.285504 Ni\n0.825201 0.661573 0.785504 Ni\n0.338426 0.163628 0.785504 Ni\n0.836372 0.174798 0.785504 Ni\n0.666667 0.333332 0.511909 Sb\n0.333332 0.666667 0.011909 Sb\n0.178727 0.855828 0.906792 O\n0.144171 0.322898 0.906792 O\n0.333332 0.666667 0.379860 O\n0.510825 0.969916 0.156927 O\n0.030083 0.540910 0.156927 O\n0.855828 0.178727 0.406792 O\n0.969916 0.510825 0.656927 O\n0.489173 0.459089 0.656927 O\n0.821272 0.677100 0.406792 O\n0.000000 0.000000 0.200430 O\n0.000000 0.000000 0.700430 O\n0.666667 0.333332 0.879860 O\n0.459089 0.489173 0.156927 O\n0.322898 0.144171 0.406792 O\n0.540910 0.030083 0.656927 O\n0.677100 0.821272 0.906792 O\n",
"nsites": 28,
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],
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"density_atomic": 0.10030159891076301,
"volume": 279.1580623247215,
"volume_molar": 6.004032662886877,
"formula_full": "Li4 Ni6 Sb2 O16",
"formula_reduced": "Li2Ni3SbO8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 159
},
{
"id": "jvasp-29833",
"created_at": "2022-09-04T14:37:38.502355Z",
"updated_at": "2022-09-04T14:37:38.502376Z",
"structure_string": "Al4 H12 O12\n1.0\n-4.271626 2.301107 4.737010\n4.447331 -2.393977 5.431589\n4.209207 2.498453 -6.446661\nAl H O\n4 12 12\ndirect\n0.472360 0.835363 0.303943 Al\n0.527703 0.164634 0.696076 Al\n-0.008911 0.670387 0.653933 Al\n0.008973 0.329610 0.346086 Al\n0.810101 0.598165 0.827051 H\n0.189960 0.401831 0.172968 H\n0.677155 0.908544 0.166937 H\n0.634985 0.829603 0.689313 H\n0.365079 0.170394 0.310707 H\n0.322907 0.091452 0.833082 H\n0.172615 0.714630 0.475048 H\n0.398875 0.465209 0.075101 H\n0.601188 0.534788 0.924919 H\n0.930147 0.943948 0.126401 H\n0.069916 0.056049 0.873618 H\n0.827448 0.285367 0.524971 H\n0.526800 0.189021 0.930496 O\n0.473264 0.810977 0.069524 O\n0.453140 0.867258 0.538988 O\n0.546923 0.132739 0.461031 O\n0.956914 0.388541 0.555356 O\n0.520013 0.438021 0.742315 O\n0.480050 0.561976 0.257704 O\n0.021821 0.057895 0.309677 O\n0.978243 0.942102 0.690343 O\n0.029666 0.283215 0.103583 O\n0.043150 0.611456 0.444664 O\n0.970399 0.716784 0.896437 O\n",
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"volume": 210.99561570953523,
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"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
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"spacegroup": 2
},
{
"id": "jvasp-54512",
"created_at": "2022-09-04T14:38:30.723616Z",
"updated_at": "2022-09-04T14:38:30.723634Z",
"structure_string": "V2 Zn4 P4 O18\n1.0\n7.343873 -0.024106 -2.662191\n-3.726413 6.399095 -2.487118\n-0.014038 0.024106 7.811501\nV Zn P O\n2 4 4 18\ndirect\n0.000000 0.600511 0.600511 V\n0.000000 0.100511 0.100511 V\n0.263391 0.148342 0.648342 Zn\n0.500000 0.884949 0.148341 Zn\n0.500000 0.648341 0.384949 Zn\n0.736608 0.384949 0.884949 Zn\n0.500000 0.313865 0.427359 P\n0.886505 0.813865 0.313865 P\n0.500000 0.927359 0.813865 P\n0.113494 0.427360 0.927359 P\n0.037635 0.016618 0.324630 O\n0.287665 0.633987 0.133987 O\n0.308012 0.324629 0.286996 O\n0.500000 0.133988 0.846323 O\n0.308012 0.786995 0.824629 O\n0.691987 0.978982 0.016618 O\n0.500000 0.116904 0.323650 O\n0.712335 0.846322 0.346322 O\n0.962365 0.478983 0.786995 O\n0.037635 0.824629 0.516618 O\n0.000000 0.424239 0.424239 O\n0.691987 0.516618 0.478983 O\n0.793254 0.616903 0.116904 O\n0.962365 0.286996 0.978983 O\n0.500000 0.346323 0.633988 O\n0.000000 0.924239 0.924239 O\n0.206745 0.323651 0.823650 O\n0.500000 0.823650 0.616904 O\n",
"nsites": 28,
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],
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"volume": 366.8325328724464,
"volume_molar": 7.889704101089999,
"formula_full": "V2 Zn4 P4 O18",
"formula_reduced": "VZn2P2O9",
"formula_anonymous": "AB2C2D9",
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"spacegroup": 108
},
{
"id": "jvasp-40675",
"created_at": "2022-09-04T14:37:57.744731Z",
"updated_at": "2022-09-04T14:37:57.744763Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.884203 -0.000000 0.000000\n0.000000 6.217230 0.000000\n0.000000 0.000000 9.110425\nLi Fe Si O\n4 4 4 16\ndirect\n0.976560 0.250000 0.665879 Li\n0.523439 0.250000 0.165878 Li\n0.476560 0.750000 0.834122 Li\n0.023440 0.750000 0.334122 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.027251 0.250000 0.321975 Si\n0.472749 0.250000 0.821975 Si\n0.527250 0.750000 0.178025 Si\n0.972749 0.750000 0.678026 Si\n0.176874 0.032672 0.384455 O\n0.176874 0.467328 0.384455 O\n0.323126 0.032672 0.884455 O\n0.323126 0.467328 0.884455 O\n0.300745 0.750000 0.630841 O\n0.603080 0.750000 0.358328 O\n0.396919 0.250000 0.641673 O\n0.800745 0.250000 0.869159 O\n0.823125 0.532672 0.615546 O\n0.823125 0.967328 0.615546 O\n0.676874 0.532672 0.115545 O\n0.676874 0.967328 0.115545 O\n0.199255 0.750000 0.130841 O\n0.103080 0.250000 0.141673 O\n0.699254 0.250000 0.369159 O\n0.896919 0.750000 0.858328 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.7183013655757793,
"density_atomic": 0.10121124196844343,
"volume": 276.6491098758584,
"volume_molar": 5.950071002861163,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4400568714285717,
"spacegroup": 62
},
{
"id": "jvasp-25522",
"created_at": "2022-09-04T14:38:12.173855Z",
"updated_at": "2022-09-04T14:38:12.173885Z",
"structure_string": "Na4 Te4 F20\n1.0\n5.892927 0.000000 0.000000\n0.000000 7.078013 0.000000\n0.000000 0.000000 10.351515\nNa Te F\n4 4 20\ndirect\n0.250000 0.318753 0.997247 Na\n0.750000 0.681246 0.002754 Na\n0.750000 0.818753 0.502754 Na\n0.250000 0.181246 0.497247 Na\n0.250000 0.648399 0.265183 Te\n0.750000 0.351601 0.734817 Te\n0.750000 0.148399 0.234817 Te\n0.250000 0.851600 0.765183 Te\n0.513959 0.140546 0.098970 F\n0.021221 0.547246 0.134689 F\n0.521221 0.452754 0.865311 F\n0.478780 0.547246 0.134689 F\n0.478780 0.952754 0.634689 F\n0.978780 0.452754 0.865311 F\n0.013958 0.859454 0.901030 F\n0.978780 0.047246 0.365311 F\n0.486042 0.640546 0.401030 F\n0.513959 0.359454 0.598970 F\n0.486042 0.859454 0.901030 F\n0.986042 0.140546 0.098970 F\n0.021221 0.952754 0.634689 F\n0.013958 0.640546 0.401030 F\n0.250000 0.118055 0.805267 F\n0.750000 0.881945 0.194733 F\n0.750000 0.618055 0.694734 F\n0.250000 0.381945 0.305267 F\n0.986042 0.359454 0.598970 F\n0.521221 0.047246 0.365311 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Te",
"F"
],
"chemical_system": "F-Na-Te",
"density": 3.777973506307297,
"density_atomic": 0.06485025653315019,
"volume": 431.76390498450763,
"volume_molar": 9.286225038942753,
"formula_full": "Na4 Te4 F20",
"formula_reduced": "NaTeF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}